reference to the presentation of xyz2mol#35
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nbehrnd wants to merge 2 commits intojensengroup:masterfrom
Open
reference to the presentation of xyz2mol#35nbehrnd wants to merge 2 commits intojensengroup:masterfrom
nbehrnd wants to merge 2 commits intojensengroup:masterfrom
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Today, I still appreciate Jan Jensens's succinct presentation of xyz2mol -- covering aspects why he was interested and examples where the implementation does encounter difficulties and should be used with care. Is there a major improvement of the program in progress/a publication in preparation which aims to exceed the functionality presented which could explain why the suggested addition of a link to the video and slides is pending revision? |
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The additional link to the slides and the recording of Jan Jensen's presentation of xyz2mol conveys details how the program processes the data and showcases known limitations of the implementation.